BMRB Entry 5860
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5860
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Title: Structure of Subtilosin A, an Antimicrobial Peptide from Bacillus subtilis with Unusual Post-translational Modifications Linking Cysteine Sulfurs to alpha-Carbons of Phenylalanine and Threonine PubMed: 12696888
Deposition date: 2003-07-04 Original release date: 2003-12-19
Authors: Kawulka, Karen; Sprules, Tara; McKay, Ryan; Mercier, Pascal; Diaper, Christopher; Zuber, Peter; Vederas, John
Citation: Kawulka, Karen; Sprules, Tara; McKay, Ryan; Mercier, Pascal; Diaper, Christopher; Zuber, Peter; Vederas, John. "Structure of Subtilosin A, an Antimicrobial Peptide from Bacillus subtilis with Unusual Posttranslational Modifications Linking Cysteine Sulfurs to alpha-Carbons of Phenylalanine and Threonine" J. Am. Chem. Soc. 125, 4726-4727 (2003).
Assembly members:
Subtilosin A, polymer, 35 residues, 3401 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Eubacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: purified from the natural source
Entity Sequences (FASTA):
Subtilosin A: NKGCATCSIGAACLVDGPIP
DFEIAGATGLFGLWG
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 207 |
| 13C chemical shifts | 93 |
| 15N chemical shifts | 35 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Subtilosin A | 1 |
Entities:
Entity 1, Subtilosin A 35 residues - 3401 Da.
| 1 | ASN | LYS | GLY | CYS | ALA | THR | CYS | SER | ILE | GLY | ||||
| 2 | ALA | ALA | CYS | LEU | VAL | ASP | GLY | PRO | ILE | PRO | ||||
| 3 | ASP | PHE | GLU | ILE | ALA | GLY | ALA | THR | GLY | LEU | ||||
| 4 | PHE | GLY | LEU | TRP | GLY |
Samples:
sample_1: Subtilosin A, [U-100% 13C; U-80% 15N], 1.0 mM
cond_1: pH: 4.5; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-13C HSQC | sample_1 | not available | cond_1 |
| 1H-15N-HSQC | sample_1 | not available | cond_1 |
| HNHA | sample_1 | not available | cond_1 |
| CBCA(CO)NNH | sample_1 | not available | cond_1 |
| HCCH-TOCSY | sample_1 | not available | cond_1 |
| HNCO | sample_1 | not available | cond_1 |
| HNCA | sample_1 | not available | cond_1 |
| HNCACB | sample_1 | not available | cond_1 |
| 13C-NOESYHSQC | sample_1 | not available | cond_1 |
| 15N-NOESYHSQC | sample_1 | not available | cond_1 |
| 15N-TOCSYHSQC | sample_1 | not available | cond_1 |
| 13C,15N-NOESY | sample_1 | not available | cond_1 |
Software:
NMRPipe v2.2 - data processing
NMRVIEW v5.0 - data analysis
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 800 MHz
Related Database Links:
| DBJ | BAI87397 BAM55818 BAM59830 GAK81054 |
| EMBL | CAB09701 CAB15763 CAD23198 CCU60834 CEI59543 |
| GB | ABD92636 ABD92637 ABD92638 ABW83032 ACO72595 |
| REF | NP_391616 WP_003222002 YP_003868035 YP_003975177 YP_004205572 |
| SP | O07623 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
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